Abstract
Abstract The structure of the mixed ligand complex bis-μ-chloro-bis[chloro(4-methylthiazole)dimethylformamidecopper(II)] has been determined from three-dimensional X-ray counter data. The complex [Cu-(C4H5NS)(DMF)Cl2]2 crystallizes in the monoclinic space group P 2 1 n with two formula units in a cell of dimensions a = 7.349(7), b = 20.306(7), c = 8.909(3) A and β = 112.53(6)°. The final weighted R factor is 0.032 based on 1646 data. In this first example of a mixed ligand bis-μ-chloro-copper(II) complex, copper is five-coordinate, with the coordination geometry being distorted from an idealized tetragonal pyramidal. The Cu2Cl2 bridging unit is constrained to be planar by the presence of a center of symmetry, and the CuCl distances are 2.296(2) and 2.724(1) A with a CuCl⋯Cu′ angle of 95.29(7)°. Magnetic susceptibility measurements reveal antiferromagnetic exchange coupling, and the best fit of equation for an exchange coupled pair of S = 1 2 ions yields J = −1.7 cm−1 and g = 2.105. The exchange coupling constant lies in the range of values for a φ R o value of 35 deg A−1. The quality of the fit is markedly improved if intermider exchange interactions are taken into account. The dimers pack in the solid state to form a ladder-like structure with copper(II)sulfur contacts of 3.906(3) A. Best fit exchange coupling constants for the spin ladder of −1.17 and −1.0 cm−1 were obtained from a calculation on a closed ring of 10 spins with nearest neighbor and next-nearest neighbor interactions.
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